SCHEMBL3338797

SCHEMBL3338797

CCCC(C)[N+](C)(C)C(C)(CC(=O)O)C(=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
CYP3A4 P08684 2/20 0.33
NFKB1 P19838 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
BBOX1 O75936 1/20 0.33
CHRM1 P11229 2/20 0.31
ADRA1A P35348 2/20 0.31
HMGCR P04035 1/20 0.31
TBXA2R P21731 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7747690 0.88 CA2 (0.41) CA1
SCHEMBL7752126 0.88 CA2 (0.41) CA1
SCHEMBL98813 0.88 CA2 (0.41) CA1
SCHEMBL97487 0.88 CA2 (0.41) CA1
SCHEMBL7752153 0.83 KDM4C (0.34) BBOX1TDP1CA1
SCHEMBL11132232 0.83 CPB2 (0.33) BBOX1
SCHEMBL7751708 0.81 FFAR1 (0.42) CYP3A4NPSR1CHRM1TBXA2RCYP2D6
SCHEMBL609004 0.78 BBOX1 (0.31) BBOX1
SCHEMBL278213 0.78 TSHR (0.36) TSHRCYP3A4NFKB1NPSR1BBOX1
SCHEMBL6526772 0.77 HMGCR (0.33) TSHRCHRM1ADRA1AHMGCRTBXA2R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174904-A1 HIGHLY ALKALINE TEXTILE WASHING AGENT COMPRISING PROTEASE HENKEL AG & CO. KGAA (DE) 2023-06-08 US disclosed
US-20230066457-A1 LOW-MOLECULAR GELLING AGENT AS FRAGRANT SUBSTANCE DISPENSING SYSTEM HENKEL AG & CO. KGAA (DE) 2023-03-02 US disclosed
US-11542457-B2 Hydrolytically labile heterocycles of odoriferous ketones or odoriferous aldehydes HENKEL AG & CO. KGAA (DE) 2023-01-03 US disclosed
US-20210254036-A1 Polyesterase containing agent I HENKEL AG & CO. KGAA (DE) 2021-08-19 US disclosed
US-20210246400-A1 Agent containing a recombinant polyesterase HENKEL AG & CO. KGAA (DE) 2021-08-12 US disclosed
US-20210246399-A1 Polyesterase II HENKEL AG & CO. KGAA (DE) 2021-08-12 US disclosed
US-20210147761-A1 THERMOLABILE PRO-FRAGRANCES OF FRAGRANCE KETONES HENKEL AG & CO. KGAA (DE) 2021-05-20 US disclosed
US-10858814-B2 Toilet rim block and rim block cage HENKEL AG & CO. KGAA 2020-12-08 US disclosed
US-10829921-B2 Toilet rim block and rim block cage HENKEL AG & CO. KGAA (DE) 2020-11-10 US disclosed
US-20200331935-A1 HYDROLYTICALLY LABILE SILYL ENOL ETHER FRAGRANCE KETONES OR ALDEHYDES HENKEL AG & CO. KGAA (DE) 2020-10-22 US disclosed
US-20180362891-A1 OPTIMIZED SURFACTANT-ENZYME MIXTURES HENKEL AG & CO. KGAA (DE) 2018-12-20 US disclosed
CN-105339565-B Device for dispensing an active ingredient preparation into a toilet bowl 汉高股份有限及两合公司 2018-10-26 CN disclosed
US-20180155660-A1 TOILET RIM BLOCK AND RIM BLOCK CAGE HENKEL AG & CO. KGAA (DE) 2018-06-07 US disclosed
US-20180155909-A1 TOILET RIM BLOCK AND RIM BLOCK CAGE HENKEL AG & CO. KGAA (DE) 2018-06-07 US disclosed
US-20180155908-A1 TOILET RIM BLOCK AND RIM BLOCK CAGE HENKEL AG & CO. KGAA (DE) 2018-06-07 US disclosed
US-20180155910-A1 TOILET RIM BLOCK AND RIM BLOCK CAGE HENKEL AG & CO. KGAA (DE) 2018-06-07 US disclosed
US-20160298063-A1 DISPOSABLE DISHWASHING PAD HENKEL AG & CO. KGAA (DE) 2016-10-13 US disclosed
US-20160289594-A1 USE OF CNGA2 AGONISTS FOR ENHANCING THE OLFACTORY EFFECT OF AN ODORANT HENKEL AG & CO. KGAA (DE) 2016-10-06 US disclosed
CN-105339565-A Device for dispensing an active ingredient preparation into a toilet bowl HENKEL AG & CO KGAA 2016-02-17 CN disclosed
US-20100154832-A1 CLEANING PROCESS HENKEL AG & CO. KGAA (DE) 2010-06-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11542457-B2 Hydrolytically labile heterocycles of odoriferous ketones or odoriferous aldehydes CAT, AOX1, HOGA1 TSHR 3949/4885CYP3A4 664/4885NFKB1 3829/4885
US-20160289594-A1 USE OF CNGA2 AGONISTS FOR ENHANCING THE OLFACTORY EFFECT OF AN ODORANT CNR2, OR51E2, CHRNA2 TSHR 2191/4885CYP3A4 2628/4885NFKB1 3193/4885
US-20210147761-A1 THERMOLABILE PRO-FRAGRANCES OF FRAGRANCE KETONES FAAH, FAAH2, CUTA TSHR 4109/4885CYP3A4 189/4885NFKB1 1157/4885
US-20200331935-A1 HYDROLYTICALLY LABILE SILYL ENOL ETHER FRAGRANCE KETONES OR ALDEHYDES LCT, LIPA, DERL1 TSHR 3947/4885CYP3A4 959/4885NFKB1 4321/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.